0 B7R0.4 C#CCCCC(=O)O CS-W009272 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 CC(=O)OCCCCl CS-W017752 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.4 CCO\C=C\C(=O)O CS-W019195 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 COC\C=C\C(=O)O CS-0100437 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.4 O=C(O)CCCCBr CS-W017172 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.4 O=C(O)CCCCCl CS-W022362 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.4 O=C([O-])CCCCO CS-0047732 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.4 C#CCCC(=O)O CS-W008784 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.4 C=CCCC(=O)O CS-W009138 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.4 CC(=O)NCCN CS-W013694 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.4 CC(=O)NCCO CS-W013689 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.4 CC(C)CCCO CS-W007511 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.4 CCOCC(=O)O CS-0071579 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.4 CNCCC(C)C CS-W018343 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.4 CNCCN(C)C CS-W022914 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.4 CO\C=C\C(C)=O CS-W013712 [1,0,0,0,0,0|1,0,2]=4 16 B6R0.4 N#CCCC(=O)O CS-W018565 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.4 O=C(O)CCCBr CS-W016047 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.6 C=CCCCCO CS-W013711 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.5 CCC\C(C)=C\C(=O)O CS-0072967 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.6 COC(=O)CCCCCl CS-0098043 [0,1,0,0,0,0|2,0,0]=3 21 B8R0.6 COC(=O)CCCCN CS-0018002 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.6 COCCCC(=O)OC CS-W011093 [0,1,0,0,0,0|2,0,0]=3 23 B8R0.7 C=CCCCCC(=O)O CS-0097711 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.7 CC(C)NCCCCO CS-M3069 [0,1,0,0,0,0|2,0,1]=4 25 B8R0.7 COCCOCC(=O)O CS-0084611 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.7 N=C(N)NCCCCN CS-0058963 [0,1,0,0,0,0|3,0,0]=4 27 B8R0.7 O=C(O)CCCCCCl CS-W018132 [0,1,0,0,0,0|2,0,0]=3 28 B8R0.21 CCCCOS(C)(=O)=O CS-W018582 [0,1,0,0,0,0|1,0,0]=2 29 B8R0.28 CC(=O)NCCC(=O)O CS-0005652 [0,1,0,0,0,0|2,0,1]=4 30 B8R1.1 C=CC1COC(=O)C1 CS-B0698 [0,0,0,1,0,0|0,0,2]=3 31 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.1 O=C1CCC(CBr)O1 CS-M2142 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.1 O=C1N[C@@H](CO)CO1 CS-0067476 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.7 O=C(O)C1=CCCC1 CS-W005540 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.7 O=C(O)C1CCCN1 CS-W013624 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.7 O=C(O)C1CCCO1 CS-W018496 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.7 O=C(O)C1CCNC1 CS-W019683 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.34 O=C(O)CC1CCC1 CS-D0460 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.72 CC1(N)CCCCC1 CS-0037804 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.72 CC1(O)CCCCC1 CS-W013634 [0,0,0,1,0,0|1,0,2]=4 42 B8R1.72 O=S1(=O)CCCCO1 CS-W018691 [0,0,0,1,0,0|2,0,0]=3 43 B5R0.1 CC(=O)CC#N CS-W020196 [2,0,0,0,0,0|1,0,1]=4 44 B5R0.1 CC(=O)CCCl CS-W022162 [2,0,0,0,0,0|1,0,0]=3 45 B5R0.1 CCOC(=N)N CS-W019160 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.1 CCOC(=S)[S-] CS-W020193 [2,0,0,0,0,0|1,1,0]=4 47 B5R0.1 CNCC(=O)O CS-W013507 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.1 COCC(=O)O CS-W020123 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.2 C=CCCCBr CS-W018483 [2,0,0,0,0,0|1,0,1]=4 50 B5R0.2 CNCCNC CS-0020009 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.2 COCCCBr CS-W010945 [2,0,0,0,0,0|1,0,0]=3 52 B5R0.2 COCCCO CS-W020636 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.2 NC[C@@H](O)CC(=O)O CS-W023137 [1,1,0,0,0,0|2,0,0]=4 54 B7R0.2 [C@H](O)(CN)CC(=O)O CS-W005749 [1,1,0,0,0,0|2,0,0]=4 55 B7R0.3 COC(=O)CCCBr CS-W004701 [1,1,0,0,0,0|1,0,0]=3 56 B7R0.3 COC(=O)CCCCl CS-0001466 [1,1,0,0,0,0|1,0,0]=3 57 B7R0.5 COC[C@@H](N)C(=O)O CS-0031341 [1,1,0,0,0,0|2,0,0]=4 58 B7R0.5 NCCC(N)C(=O)O CS-W010735 [1,1,0,0,0,0|2,0,0]=4 59 B7R0.5 N[C@H](CCS)C(=O)O CS-M1780 [1,1,0,0,0,0|2,0,0]=4 60 B7R0.5 [C@H](N)(CCN)C(=O)O CS-W010734 [1,1,0,0,0,0|2,0,0]=4 61 B7R0.6 CC(=O)NNC(C)C CS-M2559 [1,1,0,0,0,0|2,0,0]=4 62 B7R0.8 CS(=O)(=O)CCCO CS-W004952 [1,1,0,0,0,0|2,0,0]=4 63 B7R0.1 C=CCCCCCBr CS-W009270 [1,1,0,0,0,0|1,0,1]=4 64 B9R0.6 CCC[C@@H](N)C(O)C(N)=O CS-M1863 [0,2,0,0,0,0|2,0,0]=4 65 B9R0.34 CCCC(=O)CC(=O)OC CS-W005176 [0,2,0,0,0,0|1,0,1]=4 66 B9R0.53 CC(C)CC(N)CC(=O)O CS-W021839 [0,2,0,0,0,0|2,0,0]=4 67 B9R0.58 CCCC(C)(O)CC(=O)O CS-W021935 [0,2,0,0,0,0|2,0,0]=4 68 B9R0.1 COC(=O)CCCC(C)=O CS-0090564 [0,2,0,0,0,0|1,0,1]=4 69 B9R0.46 COC(=O)CCCCCBr CS-W015176 [0,2,0,0,0,0|1,0,0]=3 70 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [1,0,0,1,0,0|1,0,0]=3 71 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [1,0,0,1,0,0|1,0,0]=3 72 B7R1.2 O=C1CC(O)CN1 CS-W018808 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [1,0,0,1,0,0|1,0,1]=4 74 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.3 NN1CCCCC1 CS-W007639 [1,0,0,1,0,0|2,0,0]=4 76 B7R1.3 O=C1CCNCC1 CS-W018762 [1,0,0,1,0,0|1,0,0]=3 77 B7R1.3 O=C1CCNCC1 CS-W020094 [1,0,0,1,0,0|1,0,0]=3 78 B7R1.3 O=C1COCCN1 CS-D1427 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.3 O=C1COCCO1 CS-0031423 [1,0,0,1,0,0|1,0,0]=3 80 B7R1.3 O=C1CSCCN1 CS-W019146 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS-M3337 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-W000621 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.14 O=S1(=O)CCCO1 CS-W011195 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.18 NC(=O)C1CCC1 CS-D0904 [1,0,0,1,0,0|1,0,0]=3 85 B7R1.18 O=C(O)C1CCC1 CS-W011325 [1,0,0,1,0,0|1,0,0]=3 86 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [1,0,0,1,0,0|1,0,0]=3 87 B7R1.4 O=C1NCCC1O CS-W005201 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.4 O=C1OCCC1O CS-W013699 [1,0,0,1,0,0|1,0,0]=3 89 B9R1.7 O=S1OCC(CCCl)O1 CS-M1076 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.13 O=C(O)C[C@H]1CCCN1 CS-0031343 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.41 CN1CCC[C@@H]1C(=O)O CS-W001913 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.41 CN1CCC[C@H]1C(=O)O CS-B1517 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.1 CCC1CCC(=O)CC1 CS-W011153 [0,1,0,1,0,0|1,0,0]=3 94 B9R1.5 NC1CCCCNC1=O CS-M1433 [0,1,0,1,0,0|1,0,0]=3 95 B9R1.11 CNC(=O)[C@@H]1CCCN1 CS-WAA0154 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.11 COC(=O)C1=CCCC1 CS-D0999 [0,1,0,1,0,0|1,0,1]=4 97 B9R1.11 COC(=O)C1CCCN1 CS-W004744 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.11 COC(=O)[C@@H]1CCCN1 CS-M0706 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.11 [C@H]1(C(=O)OC)CCCN1 CS-W010818 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.50 O=C1CCCCCCN1 CS-W022575 [0,1,0,1,0,0|1,0,0]=3 101 B9R1.6 CC(=O)C1CCCCC1 CS-W007597 [0,1,0,1,0,0|1,0,0]=3 102 B9R1.6 CC(=O)C1CCOCC1 CS-D1226 [0,1,0,1,0,0|1,0,0]=3 103 B9R1.6 CC(=O)N1CCNCC1 CS-W007382 [0,1,0,1,0,0|1,0,0]=3 104 B9R1.6 O=C(O)C1CCCNC1 CS-W020556 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.6 O=C(O)C1CCNCC1 CS-D1472 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.6 O=C(O)N1CCCCC1 CS-0084306 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.6 O=C(O)[C@@H]1CCCCN1 CS-0097749 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.6 O=C(O)[C@@H]1CNCCO1 CS-0031402 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.6 O=C(O)[C@H]1CCCNC1 CS-0043826 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.6 O=C(O)[C@H]1CNCCO1 CS-0102851 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.110 NC(C(=O)O)C1CCC1 CS-D0010 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.163 NC1(C(=O)O)CCCC1 CS-B0093 [0,1,0,1,0,0|2,0,0]=4